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Structure

Chembrdg-bb 6489995

CAS
915922-32-6
Catalog Number
ACM915922326
Category
Other Products
Molecular Weight
200.233180 [g/mol]
Molecular Formula
C13H12O2

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Specification

Synonyms
CHEMBRDG-BB 6489995;3-ALLYL-4-(2-PROPYN-1-YLOXY)BENZALDEHYDE
IUPAC Name
3-prop-2-enyl-4-prop-2-ynoxybenzaldehyde
InChI Key
JYGAJLCRMLQGKX-UHFFFAOYSA-N
Boiling Point
329.6ºC at 760 mmHg
Flash Point
146.6ºC
Density
1.074g/cm³
Exact Mass
200.08400
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Chembrdg-bb 6489995?

The molecular formula of Chembrdg-bb 6489995 is C13H12O2.

When was Chembrdg-bb 6489995 created and modified?

Chembrdg-bb 6489995 was created on 2009-05-28 and modified on 2023-12-30.

What is the IUPAC name of Chembrdg-bb 6489995?

The IUPAC name of Chembrdg-bb 6489995 is 3-prop-2-enyl-4-prop-2-ynoxybenzaldehyde.

What is the InChI of Chembrdg-bb 6489995?

The InChI of Chembrdg-bb 6489995 is InChI=1S/C13H12O2/c1-3-5-12-9-11(10-14)6-7-13(12)15-8-4-2/h2-3,6-7,9-10H,1,5,8H2.

What is the InChIKey of Chembrdg-bb 6489995?

The InChIKey of Chembrdg-bb 6489995 is JYGAJLCRMLQGKX-UHFFFAOYSA-N.

What is the Canonical SMILES of Chembrdg-bb 6489995?

The Canonical SMILES of Chembrdg-bb 6489995 is C=CCC1=C(C=CC(=C1)C=O)OCC#C.

What is the molecular weight of Chembrdg-bb 6489995?

The molecular weight of Chembrdg-bb 6489995 is 200.23 g/mol.

How many hydrogen bond acceptor counts does Chembrdg-bb 6489995 have?

Chembrdg-bb 6489995 has 2 hydrogen bond acceptor counts.

Is the defined atom stereocenter count of Chembrdg-bb 6489995 zero or nonzero?

The defined atom stereocenter count of Chembrdg-bb 6489995 is zero.

Is the compound canonicalized for Chembrdg-bb 6489995?

Yes, the compound is canonicalized for Chembrdg-bb 6489995.

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