9H-Fluoren-9-ylideneacetic acid

HCID 96792
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Basic information

CAS
4425-73-4
Standard SMILES
O=C(O)C=C1c2ccccc2-c2ccccc21
InChIKey
TUWTVRGEVPWFIX-UHFFFAOYSA-N
Molecular formula
C15H10O2
Average molar mass
222.24 g/mol
Monoisotopic mass
222.06807956

Names & identifiers

Preferred name
9H-Fluoren-9-ylideneacetic acid
IUPAC
2-fluoren-9-ylideneacetic acid
English name
9-Fluorenylideneacetic acid
Molecular formula
C15H10O2
Molecular weight
222.24

Names & synonyms

4425-73-49H-Fluoren-9-ylideneacetic acid9-FLUORENYLIDENEACETIC ACID2-(9H-fluoren-9-ylidene)acetic acid2-fluoren-9-ylideneacetic acidAcetic acid, 9H-fluoren-9-ylidene-MFCD00040930Biphenylenecrylic acid(9H-Fluoren-9-ylidene)acetic acidEINECS 224-604-09-fluorenylidene acetic acidfluoren-9-ylidene-acetic acid
Show more names
BIPHENYLENEACRYLIC ACID2-(9-fluorenylidene)acetate9H-Fluorene-9-ylideneacetic aciddibenzofulvene-1-carboxylic acidAcetic acid, 2-(9H-fluoren-9-ylidene)-
SCHEMBL130160Acetic acid, 9-fluorenylidene-DTXSID509631969H-Fluoren-9-ylideneacetic acid #NSC895732-(9H-fluoren-9-ylidene)aceticacidNSC 89573NSC-89573

Database identifiers

CAS
4425-73-4
PubChem CID
96792
DTXSID
DTXSID50963196
EC Number
224-604-0
Nikkaji
J205.802B

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
17

Physicochemical properties

Melting point
231 · 231-233°C
Boiling point
385.7 · 385.7±11.0 °C(Predicted)
Density
1.387 · 1.387±0.06 g/cm3(Predicted)
pka
3.05 · 3.05±0.41(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers7 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]

Related reactions

14 records
New reaction record

Compound notes

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