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30753-13-0 | Benzoic acid, hydroxypropyl-
CAS No: 30753-13-0 Catalog No: AG00315V MDL No:
Product Description
Catalog Number:
AG00315V
Chemical Name:
Benzoic acid, hydroxypropyl-
CAS Number:
30753-13-0
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
2-(3-hydroxypropyl)benzoic acid
InChI:
InChI=1S/C10H12O3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-2,4,6,11H,3,5,7H2,(H,12,13)
InChI Key:
ZEWXCLJYPTYVFQ-UHFFFAOYSA-N
SMILES:
OCCCc1ccccc1C(=O)O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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