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119-67-5 | Benzoic acid, 2-formyl-
CAS No: 119-67-5 Catalog No: AG000OZW MDL No:MFCD00003336
Product Description
Catalog Number:
AG000OZW
Chemical Name:
Benzoic acid, 2-formyl-
CAS Number:
119-67-5
Molecular Formula:
C8H6O3
Molecular Weight:
150.1314
MDL Number:
MFCD00003336
IUPAC Name:
2-formylbenzoic acid
InChI:
InChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)
InChI Key:
DYNFCHNNOHNJFG-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1C(=O)O
EC Number:
204-342-3
UNII:
OAEGSO7G3Y
NSC Number:
5045
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.133g/mol
Monoisotopic Mass:
150.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
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