CAS 1570-95-2 | 1,3-Propanediol, 2-phenyl- | CAS Number 1570-95-2

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1570-95-2 | 1,3-Propanediol, 2-phenyl-

CAS No: 1570-95-2 Catalog No: AG001P5Q MDL No:MFCD00236056

Product Description

Catalog Number:

AG001P5Q

Chemical Name:

1,3-Propanediol, 2-phenyl-

CAS Number:

1570-95-2

Molecular Formula:

C9H12O2

Molecular Weight:

152.1904

MDL Number:

MFCD00236056

IUPAC Name:

2-phenylpropane-1,3-diol

InChI:

InChI=1S/C9H12O2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2

InChI Key:

BPBDZXFJDMJLIB-UHFFFAOYSA-N

SMILES:

OCC(c1ccccc1)CO

UNII:

9F93674JBB

NSC Number:

78023

Properties

Complexity:

93.7

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

152.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

152.193g/mol

Monoisotopic Mass:

152.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6

Literature

Title	Journal
Evaluation of sampling methods for measuring exposure to volatile inorganic acids in workplace air. Part 2: Sampling capacity and breakthrough tests for sodium carbonate-impregnated filters.	Journal of occupational and environmental hygiene 20111101
Site-specific and asymmetric hydrolysis of prochiral 2-phenyl-1,3-propanediol diacetate by a bacterial esterase from an isolated strain.	Bioscience, biotechnology, and biochemistry 20070801