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138427-63-1 | Benzenediol, (1-hydroxypropyl)- (9CI)
CAS No: 138427-63-1 Catalog No: AG00194S MDL No:
Product Description
Catalog Number:
AG00194S
Chemical Name:
Benzenediol, (1-hydroxypropyl)- (9CI)
CAS Number:
138427-63-1
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
3-(1-hydroxypropyl)benzene-1,2-diol
InChI:
InChI=1S/C9H12O3/c1-2-7(10)6-4-3-5-8(11)9(6)12/h3-5,7,10-12H,2H2,1H3
InChI Key:
VCTFYMKANZNZGJ-UHFFFAOYSA-N
SMILES:
CCC(c1cccc(c1O)O)O
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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