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88693-03-2 | Hydrazinecarboxylic acid, [1-(phenylmethyl)propylidene]-, methyl ester
CAS No: 88693-03-2 Catalog No: AG0046MH MDL No:
Product Description
Catalog Number:
AG0046MH
Chemical Name:
Hydrazinecarboxylic acid, [1-(phenylmethyl)propylidene]-, methyl ester
CAS Number:
88693-03-2
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
methyl N-(1-phenylbutan-2-ylideneamino)carbamate
InChI:
InChI=1S/C12H16N2O2/c1-3-11(13-14-12(15)16-2)9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,14,15)
InChI Key:
JWXFBWMLDZPHOI-UHFFFAOYSA-N
SMILES:
CCC(=NNC(=O)OC)Cc1ccccc1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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